CAS 27465-51-6

1 2D Structure

CAS 27465-51-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-ethylphenyl)propan-1-one

2.1.2 InChI

InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3

2.1.3 InChI Key

VGQRIILEZYZAOE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC1=CC=C(C=C1)C(=O)CC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 4'-ethylpropiophenone

2. 27465-51-6

3. P-ethylpropiophenone

4. 4-ethylpropiophenone

5. 1-propanone, 1-(4-ethylphenyl)-

6. 1-(4-ethylphenyl)-1-propanone

7. Mfcd00191646

8. Ethyl 4-ethylphenyl Ketone

9. 4-athylpropiophenon

10. P-aethylpropiophenon

11. 3sz9

12. Schembl1687863

13. Vgqriilezyzaoe-uhfffaoysa-

14. Dtxsid40342678

15. 1-(4-ethylphenyl)-1-propanone #

16. Albb-002889

17. Zinc2556924

18. Stk500495

19. Akos000163012

20. Cs-w010854

21. Ac-10732

22. Ds-17932

23. Sy040616

24. E0461

25. Ft-0618422

26. Ft-0653656

27. En300-40806

28. 4 Inverted Exclamation Mark -ethylpropiophenone

29. A819077

30. Q27461321

31. Z1245633101

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄O
Molecular Weight	162.23 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	162.104465066 g/mol
Monoisotopic Mass	162.104465066 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	143
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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